HRID101098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID7730

Benzene, 1-bromo-4-methoxy-

C7H7BrO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID16272

Benzonitrile, 2-bromo-

C7H4BrN

HCID32051

Zinc (II) cation

Zn+2

HCID178418339

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID1393373

2-(4-methoxyphenyl)benzonitrile

C14H11NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-922fd4018faf4e60b32624cbb5940300
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:15][c:16]1[c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22][cH:23]1.[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[CH3:10][CH2:11][CH2:12][CH2:13][Li:14].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[Cl-:35].[Cl-:37].[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[Zn+2:36].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:2]1(-[c:16]2[c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22][cH:23]2)[cH:3][cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1